Flat profile:

Each sample counts as 0.01 seconds.
  %   cumulative   self              self     total           
 time   seconds   seconds    calls   s/call   s/call  name    
 35.29    580.78   580.78                             _mcount2
 21.86    940.48   359.70 5534948125     0.00     0.00  parinellorahman_m_pr_get_realsep_from_dx_
  8.52   1080.74   140.26                             __rouexit
  8.48   1220.29   139.55 5387857500     0.00     0.00  lookup_m_get_value_from_lookup_veephi_
  4.58   1295.73    75.44      238     0.32     1.27  dynamics_m_force_
  4.12   1363.55    67.82        1    67.82   306.74  analysis_m_rdf_
  3.35   1418.67    55.12                             f90io_close
  2.04   1452.28    33.61                             __mth_i_idnint
  1.59   1478.53    26.25                             __rouinit
  1.36   1500.83    22.30      238     0.09     0.34  dynamics_m_rhoset_
  1.24   1521.21    20.38        2    10.19    10.23  lookup_m_calculate_lookup_table_emb_
  1.02   1537.98    16.76 1795951500     0.00     0.00  potential_m_phi_
  0.86   1552.14    14.16 40818000     0.00     0.00  lookup_m_get_value_from_lookup_emb_
  0.70   1563.69    11.55                             __pgio_set_errno
  0.69   1575.07    11.38 897977500     0.00     0.00  potential_m_dvee_
  0.62   1585.24    10.17 1795951000     0.00     0.00  potential_m_dphi_
  0.51   1593.67     8.43                             __mth_i_dint
  0.45   1601.02     7.35                             __pgio_errno
  0.38   1607.32     6.30                             __pgio_environ
  0.37   1613.48     6.15 897977500     0.00     0.00  potential_m_vee_
  0.34   1619.08     5.60                             __lookup_m_get_value_from_lookup_veephi_END
  0.28   1623.71     4.63 20409000     0.00     0.00  potential_m_emb_
  0.27   1628.12     4.40        1     4.40     4.40  parinellorahman_m_cleanup_parinellorahman_m_
  0.27   1632.52     4.40                             __parinellorahman_m_cleanup_parinellorahman_m_END
  0.11   1634.40     1.88      237     0.01     1.79  dynamics_m_velocityverlet_
  0.10   1636.10     1.71      476     0.00     0.00  parinellorahman_m_pr_get_metric_tensor_
  0.07   1637.18     1.07                             __lookup_m_calculate_lookup_table_emb_END
  0.05   1638.04     0.87                             potential_m_potential_set_exact_
  0.05   1638.86     0.82        2     0.41     2.32  neighbourlist_m_update_neighbourlist_
  0.04   1639.59     0.73                             __potential_m_dvee_END
  0.04   1640.32     0.73                             __potential_m_phi_END
  0.04   1641.00     0.68      237     0.00     0.00  dynamics_m_update_therm_avs_
  0.04   1641.64     0.64                             __parinellorahman_m_pr_get_realsep_from_dx_END
  0.03   1642.14     0.50        1     0.50     0.69  potential_m_cleanup_potential_lookups_
  0.03   1642.62     0.48      238     0.00     0.00  thermostat_m_kinten_
  0.03   1643.08     0.46                             __potential_m_vee_END
  0.02   1643.46     0.38                             __potential_m_dphi_END
  0.02   1643.80     0.34  3778001     0.00     0.00  iron_carbon_vee_src_
  0.01   1644.03     0.23                             __potential_m_cleanup_potential_lookups_END
  0.01   1644.25     0.23                             __potential_m_potential_set_exact_END
  0.01   1644.44     0.18        2     0.09     0.09  lookup_m_free_lookup_table2_
  0.01   1644.62     0.18                             dynamics_m_write_energy_forces_stress_
  0.01   1644.77     0.14 20409000     0.00     0.00  potential_m_demb_
  0.01   1644.91     0.14      238     0.00     0.00  potential_m_embed_
  0.01   1645.02     0.12        1     0.12     0.78  dynamics_m_energy_calc_
  0.00   1645.10     0.08 49159658     0.00     0.00  iron_carbon_xh0_
  0.00   1645.19     0.08     5001     0.00     0.00  iron_carbon_demb_src_
  0.00   1645.27     0.08                             pgio_ecvt
  0.00   1645.33     0.06        3     0.02     0.02  iron_carbon_get_supported_potential_range_
  0.00   1645.38     0.05                             __lookup_m_get_value_from_lookup_emb_END
  0.00   1645.42     0.04                             cvtp_cp
  0.00   1645.45     0.03        1     0.03     0.03  potential_m_potin_
  0.00   1645.47     0.02                             __dynamics_m_rhoset_END
  0.00   1645.50     0.02                             cvtp_round
  0.00   1645.52     0.02        1     0.02   755.04  MAIN_
  0.00   1645.53     0.01                             __c_mzero8
  0.00   1645.54     0.01                             fw_writenum
  0.00   1645.56     0.01                             io_m_
  0.00   1645.57     0.01                             __iron_carbon_demb_src_END
  0.00   1645.58     0.01                             __iron_carbon_xh0_END
  0.00   1645.59     0.01                             __potential_m_demb_END
  0.00   1645.60     0.01                             __potential_m_emb_END
  0.00   1645.61     0.01      238     0.00     0.00  matrix_m_matrix_invert_
  0.00   1645.62     0.01        2     0.01     0.01  linkcell_m_linkup_
  0.00   1645.63     0.01        1     0.01     0.01  thermostat_m_setvel_
  0.00   1645.64     0.01                             __hpfio_ecvt
  0.00   1645.65     0.01                             __hpfio_fcvt
  0.00   1645.66     0.01                             __hpfio_fmt_f
  0.00   1645.67     0.01                             __hpfio_strtod
  0.00   1645.68     0.01                             _init
  0.00   1645.69     0.01                             fw_write_record
  0.00   1645.70     0.01                             __dynamics_m_update_therm_avs_END
  0.00   1645.71     0.01                             __hpfio_chk_f
  0.00   1645.72     0.01                             fw_OZwritenum
  0.00   1645.72     0.01                             fw_write_item
  0.00   1645.73     0.01                             utilityfns_m_shellsort_
  0.00   1645.74     0.01                             dynamics_m_predic_
  0.00   1645.74     0.01                             iron_carbon_
  0.00   1645.74     0.00     1704     0.00     0.00  params_m_get_params_
  0.00   1645.75     0.00                             __utilityfns_m_shellsort_END
  0.00   1645.75     0.00        1     0.00     0.00  params_m_read_params_
  0.00   1645.75     0.00                             alloc_fpbuf
  0.00   1645.76     0.00                             fw_OZbyte
  0.00   1645.76     0.00      715     0.00     0.00  params_m_set_params_
  0.00   1645.76     0.00                             params_m_
  0.00   1645.76     0.00                             __params_m_get_params_END
  0.00   1645.76     0.00                             __params_m_set_params_END
  0.00   1645.76     0.00                             __dynamics_m_velocityverlet_END
  0.00   1645.76     0.00                             __dynamics_m_energy_calc_END
  0.00   1645.76     0.00   514500     0.00     0.00  random_m_rand1_
  0.00   1645.76     0.00     5001     0.00     0.00  iron_carbon_dphi_src_
  0.00   1645.76     0.00     5001     0.00     0.00  iron_carbon_dvee_src_
  0.00   1645.76     0.00     5001     0.00     0.00  iron_carbon_emb_src_
  0.00   1645.76     0.00     5001     0.00     0.00  iron_carbon_phi_src_
  0.00   1645.76     0.00      239     0.00     0.00  timers_m_clock_
  0.00   1645.76     0.00      238     0.00     0.00  analysis_m_get_thermodynamic_sums_
  0.00   1645.76     0.00      238     0.00     0.00  matrix_m_matrix_multiply_
  0.00   1645.76     0.00      238     0.00     0.00  thermostat_m_set_temp_
  0.00   1645.76     0.00      237     0.00     0.00  analysis_m_set_thermodynamic_sums_
  0.00   1645.76     0.00      237     0.00     0.00  parinellorahman_m_get_tgid_
  0.00   1645.76     0.00      237     0.00     0.00  parinellorahman_m_pr_get_tgid_
  0.00   1645.76     0.00       85     0.00     0.00  utilityfns_m_lcase_
  0.00   1645.76     0.00       41     0.00     0.00  params_m_readparam_keyvaluepair_
  0.00   1645.76     0.00       23     0.00     0.00  analysis_m_runavs_
  0.00   1645.76     0.00       23     0.00     0.00  analysis_m_update_thermodynamic_sums_
  0.00   1645.76     0.00       23     0.00     0.00  thermostat_m_get_temp_
  0.00   1645.76     0.00        6     0.00     0.00  utilityfns_m_newunit_
  0.00   1645.76     0.00        4     0.00     0.00  lookup_m_calculate_lookup_table_veephi_
  0.00   1645.76     0.00        4     0.00     0.00  lookup_m_free_lookup_table3_
  0.00   1645.76     0.00        2     0.00     0.00  linkcell_m_get_l0_
  0.00   1645.76     0.00        2     0.00     0.00  linkcell_m_get_link_
  0.00   1645.76     0.00        1     0.00     0.00  dynamics_m_cleanup_dynamics_m_
  0.00   1645.76     0.00        1     0.00     0.00  dynamics_m_init_dynamics_m_
  0.00   1645.76     0.00        1     0.00     0.00  io_m_read_system_
  0.00   1645.76     0.00        1     0.00     0.00  io_m_write_textout_header_
  0.00   1645.76     0.00        1     0.00     0.00  iron_carbon_check_supported_atomic_numbers_
  0.00   1645.76     0.00        1     0.00     0.00  linkcell_m_cleanup_linkcell_m_
  0.00   1645.76     0.00        1     0.00     0.00  linkcell_m_init_linkcell_m_
  0.00   1645.76     0.00        1     0.00     0.00  moldyv2_write_checkpoint_file
  0.00   1645.76     0.00        1     0.00     0.00  neighbourlist_m_cleanup_neighbourlist_m_
  0.00   1645.76     0.00        1     0.00     0.00  neighbourlist_m_init_neighbourlist_m_
  0.00   1645.76     0.00        1     0.00     0.00  parinellorahman_m_init_parinellorahman_m_
  0.00   1645.76     0.00        1     0.00     0.00  particles_m_cleanup_particles_m_
  0.00   1645.76     0.00        1     0.00     0.00  particles_m_init_particles_m_
  0.00   1645.76     0.00        1     0.00     0.00  particles_m_init_species_properties_
  0.00   1645.76     0.00        1     0.00     0.00  potential_m_check_available_atomic_numbers_
  0.00   1645.76     0.00        1     0.00     0.00  potential_m_get_available_potential_range_
  0.00   1645.76     0.00        1     0.00    20.47  potential_m_potential_set_lookup_
  0.00   1645.76     0.00        1     0.00     0.00  quench_m_cleanup_quench_m_
  0.00   1645.76     0.00        1     0.00     0.00  quench_m_init_quench_m_
  0.00   1645.76     0.00        1     0.00     0.00  random_m_rstart_
  0.00   1645.76     0.00        1     0.00     0.00  thermostat_m_cleanup_thermostat_m_
  0.00   1645.76     0.00        1     0.00     0.00  thermostat_m_init_thermostat_m_
  0.00   1645.76     0.00        1     0.00     0.00  thermostat_m_scalev_

 %         the percentage of the total running time of the
time       program used by this function.

cumulative a running sum of the number of seconds accounted
 seconds   for by this function and those listed above it.

 self      the number of seconds accounted for by this
seconds    function alone.  This is the major sort for this
           listing.

calls      the number of times this function was invoked, if
           this function is profiled, else blank.
 
 self      the average number of milliseconds spent in this
ms/call    function per call, if this function is profiled,
	   else blank.

 total     the average number of milliseconds spent in this
ms/call    function and its descendents per call, if this 
	   function is profiled, else blank.

name       the name of the function.  This is the minor sort
           for this listing. The index shows the location of
	   the function in the gprof listing. If the index is
	   in parenthesis it shows where it would appear in
	   the gprof listing if it were to be printed.

		     Call graph (explanation follows)


granularity: each sample hit covers 128 byte(s) for 0.00% of 1645.76 seconds

index % time    self  children    called     name
                                                 <spontaneous>
[1]     46.2    0.00  760.16                 main [1]
                0.02  755.02       1/1           MAIN_ [2]
                4.40    0.00       1/1           parinellorahman_m_cleanup_parinellorahman_m_ [28]
                0.50    0.18       1/1           potential_m_cleanup_potential_lookups_ [36]
                0.02    0.00       1/3           iron_carbon_get_supported_potential_range_ [52]
                0.00    0.00       1/476         parinellorahman_m_pr_get_metric_tensor_ [30]
                0.00    0.00     476/715         params_m_set_params_ [87]
                0.00    0.00     238/1704        params_m_get_params_ [82]
                0.00    0.00     237/238         thermostat_m_set_temp_ [102]
                0.00    0.00     237/237         analysis_m_set_thermodynamic_sums_ [103]
                0.00    0.00     237/238         analysis_m_get_thermodynamic_sums_ [100]
                0.00    0.00      23/23          analysis_m_update_thermodynamic_sums_ [108]
                0.00    0.00       1/1           thermostat_m_cleanup_thermostat_m_ [133]
                0.00    0.00       1/1           particles_m_cleanup_particles_m_ [125]
                0.00    0.00       1/1           potential_m_check_available_atomic_numbers_ [128]
                0.00    0.00       1/1           potential_m_get_available_potential_range_ [129]
                0.00    0.00       1/1           quench_m_cleanup_quench_m_ [130]
                0.00    0.00       1/1           linkcell_m_cleanup_linkcell_m_ [119]
                0.00    0.00       1/1           neighbourlist_m_cleanup_neighbourlist_m_ [122]
                0.00    0.00       1/1           dynamics_m_cleanup_dynamics_m_ [114]
-----------------------------------------------
                0.02  755.02       1/1           main [1]
[2]     45.9    0.02  755.02       1         MAIN_ [2]
                1.88  421.74     237/237         dynamics_m_velocityverlet_ [4]
               67.82  238.92       1/1           analysis_m_rdf_ [6]
                0.00   20.47       1/1           potential_m_potential_set_lookup_ [14]
                0.32    0.95       1/238         dynamics_m_force_ [7]
                0.85    0.00     238/476         parinellorahman_m_pr_get_metric_tensor_ [30]
                0.12    0.66       1/1           dynamics_m_energy_calc_ [33]
                0.68    0.00     237/237         dynamics_m_update_therm_avs_ [37]
                0.39    0.00 15105500/5387857500     lookup_m_get_value_from_lookup_veephi_ [9]
                0.05    0.00 3776500/897977500     potential_m_dvee_ [19]
                0.04    0.00 7549000/1795951000     potential_m_dphi_ [20]
                0.04    0.00       2/3           iron_carbon_get_supported_potential_range_ [52]
                0.03    0.00       1/1           potential_m_potin_ [55]
                0.03    0.00 3776500/897977500     potential_m_vee_ [24]
                0.01    0.00       2/2           linkcell_m_linkup_ [66]
                0.01    0.00       1/1           thermostat_m_setvel_ [67]
                0.00    0.01     237/237         parinellorahman_m_pr_get_tgid_ [74]
                0.00    0.00       1/1           params_m_read_params_ [84]
                0.00    0.00     513/1704        params_m_get_params_ [82]
                0.00    0.00    1000/40818000     lookup_m_get_value_from_lookup_emb_ [17]
                0.00    0.00     500/20409000     potential_m_emb_ [27]
                0.00    0.00       1/238         matrix_m_matrix_invert_ [65]
                0.00    0.00    3500/1795951500     potential_m_phi_ [16]
                0.00    0.00       2/715         params_m_set_params_ [87]
                0.00    0.00     500/20409000     potential_m_demb_ [47]
                0.00    0.00  514500/514500      random_m_rand1_ [94]
                0.00    0.00     239/239         timers_m_clock_ [99]
                0.00    0.00     237/237         parinellorahman_m_get_tgid_ [104]
                0.00    0.00      23/23          analysis_m_runavs_ [107]
                0.00    0.00      23/23          thermostat_m_get_temp_ [109]
                0.00    0.00       1/1           parinellorahman_m_init_parinellorahman_m_ [124]
                0.00    0.00       1/1           random_m_rstart_ [132]
                0.00    0.00       1/1           moldyv2_write_checkpoint_file [121]
                0.00    0.00       1/238         analysis_m_get_thermodynamic_sums_ [100]
                0.00    0.00       1/1           linkcell_m_init_linkcell_m_ [120]
                0.00    0.00       1/1           particles_m_init_particles_m_ [126]
                0.00    0.00       1/1           thermostat_m_scalev_ [135]
                0.00    0.00       1/1           quench_m_init_quench_m_ [131]
                0.00    0.00       1/1           neighbourlist_m_init_neighbourlist_m_ [123]
                0.00    0.00       1/6           utilityfns_m_newunit_ [110]
                0.00    0.00       1/1           io_m_read_system_ [116]
                0.00    0.00       1/1           thermostat_m_init_thermostat_m_ [134]
                0.00    0.00       1/238         thermostat_m_set_temp_ [102]
                0.00    0.00       1/1           io_m_write_textout_header_ [117]
                0.00    0.00       1/1           dynamics_m_init_dynamics_m_ [115]
                0.00    0.00       1/238         matrix_m_matrix_multiply_ [101]
-----------------------------------------------
                                                 <spontaneous>
[3]     35.3  580.78    0.00                 _mcount2 [3]
-----------------------------------------------
                1.88  421.74     237/237         MAIN_ [2]
[4]     25.7    1.88  421.74     237         dynamics_m_velocityverlet_ [4]
               75.12  225.54     237/238         dynamics_m_force_ [7]
               92.64    0.00 3576804000/5387857500     lookup_m_get_value_from_lookup_veephi_ [9]
               11.33    0.00 894201000/897977500     potential_m_dvee_ [19]
               10.13    0.00 1788402000/1795951000     potential_m_dphi_ [20]
                6.13    0.00 894201000/897977500     potential_m_vee_ [24]
                0.85    0.00     237/476         parinellorahman_m_pr_get_metric_tensor_ [30]
                0.00    0.00     237/715         params_m_set_params_ [87]
                0.00    0.00     237/1704        params_m_get_params_ [82]
-----------------------------------------------
                0.25    0.00 3773000/5534948125     dynamics_m_energy_calc_ [33]
                3.82    0.00 58738750/5534948125     neighbourlist_m_update_neighbourlist_ [26]
               58.36    0.00 897974000/5534948125     dynamics_m_rhoset_ [10]
               58.36    0.00 897974000/5534948125     dynamics_m_force_ [7]
              238.92    0.00 3676488375/5534948125     analysis_m_rdf_ [6]
[5]     21.9  359.70    0.00 5534948125         parinellorahman_m_pr_get_realsep_from_dx_ [5]
-----------------------------------------------
               67.82  238.92       1/1           MAIN_ [2]
[6]     18.6   67.82  238.92       1         analysis_m_rdf_ [6]
              238.92    0.00 3676488375/5534948125     parinellorahman_m_pr_get_realsep_from_dx_ [5]
                0.00    0.00       1/6           utilityfns_m_newunit_ [110]
-----------------------------------------------
                0.32    0.95       1/238         MAIN_ [2]
               75.12  225.54     237/238         dynamics_m_velocityverlet_ [4]
[7]     18.3   75.44  226.49     238         dynamics_m_force_ [7]
               22.30   58.36     238/238         dynamics_m_rhoset_ [10]
               58.36    0.00 897974000/5534948125     parinellorahman_m_pr_get_realsep_from_dx_ [5]
               46.52    0.00 1795948000/5387857500     lookup_m_get_value_from_lookup_veephi_ [9]
               16.76    0.00 1795948000/1795951500     potential_m_phi_ [16]
               14.16    0.00 40817000/40818000     lookup_m_get_value_from_lookup_emb_ [17]
                0.82    3.82       2/2           neighbourlist_m_update_neighbourlist_ [26]
                4.63    0.00 20408500/20409000     potential_m_emb_ [27]
                0.48    0.00     238/238         thermostat_m_kinten_ [39]
                0.14    0.00 20408500/20409000     potential_m_demb_ [47]
                0.14    0.00     238/238         potential_m_embed_ [48]
                0.00    0.00     716/1704        params_m_get_params_ [82]
                0.00    0.00       2/2           linkcell_m_get_l0_ [112]
                0.00    0.00       2/2           linkcell_m_get_link_ [113]
-----------------------------------------------
                                                 <spontaneous>
[8]      8.5  140.26    0.00                 __rouexit [8]
-----------------------------------------------
                0.39    0.00 15105500/5387857500     MAIN_ [2]
               46.52    0.00 1795948000/5387857500     dynamics_m_force_ [7]
               92.64    0.00 3576804000/5387857500     dynamics_m_velocityverlet_ [4]
[9]      8.5  139.55    0.00 5387857500         lookup_m_get_value_from_lookup_veephi_ [9]
-----------------------------------------------
               22.30   58.36     238/238         dynamics_m_force_ [7]
[10]     4.9   22.30   58.36     238         dynamics_m_rhoset_ [10]
               58.36    0.00 897974000/5534948125     parinellorahman_m_pr_get_realsep_from_dx_ [5]
-----------------------------------------------
                                                 <spontaneous>
[11]     3.3   55.12    0.00                 f90io_close [11]
-----------------------------------------------
                                                 <spontaneous>
[12]     2.0   33.61    0.00                 __mth_i_idnint [12]
-----------------------------------------------
                                                 <spontaneous>
[13]     1.6   26.25    0.00                 __rouinit [13]
-----------------------------------------------
                0.00   20.47       1/1           MAIN_ [2]
[14]     1.2    0.00   20.47       1         potential_m_potential_set_lookup_ [14]
               20.38    0.08       2/2           lookup_m_calculate_lookup_table_emb_ [15]
                0.00    0.00       4/4           lookup_m_calculate_lookup_table_veephi_ [89]
                0.00    0.00    5001/5001        iron_carbon_emb_src_ [97]
-----------------------------------------------
               20.38    0.08       2/2           potential_m_potential_set_lookup_ [14]
[15]     1.2   20.38    0.08       2         lookup_m_calculate_lookup_table_emb_ [15]
                0.08    0.00    5001/5001        iron_carbon_demb_src_ [50]
-----------------------------------------------
                0.00    0.00    3500/1795951500     MAIN_ [2]
               16.76    0.00 1795948000/1795951500     dynamics_m_force_ [7]
[16]     1.0   16.76    0.00 1795951500         potential_m_phi_ [16]
-----------------------------------------------
                0.00    0.00    1000/40818000     MAIN_ [2]
               14.16    0.00 40817000/40818000     dynamics_m_force_ [7]
[17]     0.9   14.16    0.00 40818000         lookup_m_get_value_from_lookup_emb_ [17]
-----------------------------------------------
                                                 <spontaneous>
[18]     0.7   11.55    0.00                 __pgio_set_errno [18]
-----------------------------------------------
                0.05    0.00 3776500/897977500     MAIN_ [2]
               11.33    0.00 894201000/897977500     dynamics_m_velocityverlet_ [4]
[19]     0.7   11.38    0.00 897977500         potential_m_dvee_ [19]
-----------------------------------------------
                0.04    0.00 7549000/1795951000     MAIN_ [2]
               10.13    0.00 1788402000/1795951000     dynamics_m_velocityverlet_ [4]
[20]     0.6   10.17    0.00 1795951000         potential_m_dphi_ [20]
-----------------------------------------------
                                                 <spontaneous>
[21]     0.5    8.43    0.00                 __mth_i_dint [21]
-----------------------------------------------
                                                 <spontaneous>
[22]     0.4    7.35    0.00                 __pgio_errno [22]
-----------------------------------------------
                                                 <spontaneous>
[23]     0.4    6.30    0.00                 __pgio_environ [23]
-----------------------------------------------
                0.03    0.00 3776500/897977500     MAIN_ [2]
                6.13    0.00 894201000/897977500     dynamics_m_velocityverlet_ [4]
[24]     0.4    6.15    0.00 897977500         potential_m_vee_ [24]
-----------------------------------------------
                                                 <spontaneous>
[25]     0.3    5.60    0.00                 __lookup_m_get_value_from_lookup_veephi_END [25]
-----------------------------------------------
                0.82    3.82       2/2           dynamics_m_force_ [7]
[26]     0.3    0.82    3.82       2         neighbourlist_m_update_neighbourlist_ [26]
                3.82    0.00 58738750/5534948125     parinellorahman_m_pr_get_realsep_from_dx_ [5]
-----------------------------------------------
                0.00    0.00     500/20409000     MAIN_ [2]
                4.63    0.00 20408500/20409000     dynamics_m_force_ [7]
[27]     0.3    4.63    0.00 20409000         potential_m_emb_ [27]
-----------------------------------------------
                4.40    0.00       1/1           main [1]
[28]     0.3    4.40    0.00       1         parinellorahman_m_cleanup_parinellorahman_m_ [28]
-----------------------------------------------
                                                 <spontaneous>
[29]     0.3    4.40    0.00                 __parinellorahman_m_cleanup_parinellorahman_m_END [29]
-----------------------------------------------
                0.00    0.00       1/476         main [1]
                0.85    0.00     237/476         dynamics_m_velocityverlet_ [4]
                0.85    0.00     238/476         MAIN_ [2]
[30]     0.1    1.71    0.00     476         parinellorahman_m_pr_get_metric_tensor_ [30]
-----------------------------------------------
                                                 <spontaneous>
[31]     0.1    1.07    0.00                 __lookup_m_calculate_lookup_table_emb_END [31]
-----------------------------------------------
                                                 <spontaneous>
[32]     0.1    0.87    0.00                 potential_m_potential_set_exact_ [32]
-----------------------------------------------
                0.12    0.66       1/1           MAIN_ [2]
[33]     0.0    0.12    0.66       1         dynamics_m_energy_calc_ [33]
                0.33    0.00 3773000/3778001     iron_carbon_vee_src_ [42]
                0.25    0.00 3773000/5534948125     parinellorahman_m_pr_get_realsep_from_dx_ [5]
                0.08    0.00 49049000/49159658     iron_carbon_xh0_ [49]
-----------------------------------------------
                                                 <spontaneous>
[34]     0.0    0.73    0.00                 __potential_m_dvee_END [34]
-----------------------------------------------
                                                 <spontaneous>
[35]     0.0    0.73    0.00                 __potential_m_phi_END [35]
-----------------------------------------------
                0.50    0.18       1/1           main [1]
[36]     0.0    0.50    0.18       1         potential_m_cleanup_potential_lookups_ [36]
                0.18    0.00       2/2           lookup_m_free_lookup_table2_ [45]
                0.00    0.00       4/4           lookup_m_free_lookup_table3_ [111]
-----------------------------------------------
                0.68    0.00     237/237         MAIN_ [2]
[37]     0.0    0.68    0.00     237         dynamics_m_update_therm_avs_ [37]
-----------------------------------------------
                                                 <spontaneous>
[38]     0.0    0.64    0.00                 __parinellorahman_m_pr_get_realsep_from_dx_END [38]
-----------------------------------------------
                0.48    0.00     238/238         dynamics_m_force_ [7]
[39]     0.0    0.48    0.00     238         thermostat_m_kinten_ [39]
-----------------------------------------------
                                                 <spontaneous>
[40]     0.0    0.46    0.00                 __potential_m_vee_END [40]
-----------------------------------------------
                                                 <spontaneous>
[41]     0.0    0.38    0.00                 __potential_m_dphi_END [41]
-----------------------------------------------
                0.00    0.00    5001/3778001     lookup_m_calculate_lookup_table_veephi_ [89]
                0.33    0.00 3773000/3778001     dynamics_m_energy_calc_ [33]
[42]     0.0    0.34    0.00 3778001         iron_carbon_vee_src_ [42]
-----------------------------------------------
                                                 <spontaneous>
[43]     0.0    0.23    0.00                 __potential_m_cleanup_potential_lookups_END [43]
-----------------------------------------------
                                                 <spontaneous>
[44]     0.0    0.23    0.00                 __potential_m_potential_set_exact_END [44]
-----------------------------------------------
                0.18    0.00       2/2           potential_m_cleanup_potential_lookups_ [36]
[45]     0.0    0.18    0.00       2         lookup_m_free_lookup_table2_ [45]
-----------------------------------------------
                                                 <spontaneous>
[46]     0.0    0.18    0.00                 dynamics_m_write_energy_forces_stress_ [46]
-----------------------------------------------
                0.00    0.00     500/20409000     MAIN_ [2]
                0.14    0.00 20408500/20409000     dynamics_m_force_ [7]
[47]     0.0    0.14    0.00 20409000         potential_m_demb_ [47]
-----------------------------------------------
                0.14    0.00     238/238         dynamics_m_force_ [7]
[48]     0.0    0.14    0.00     238         potential_m_embed_ [48]
-----------------------------------------------
                0.00    0.00  110658/49159658     lookup_m_calculate_lookup_table_veephi_ [89]
                0.08    0.00 49049000/49159658     dynamics_m_energy_calc_ [33]
[49]     0.0    0.08    0.00 49159658         iron_carbon_xh0_ [49]
-----------------------------------------------
                0.08    0.00    5001/5001        lookup_m_calculate_lookup_table_emb_ [15]
[50]     0.0    0.08    0.00    5001         iron_carbon_demb_src_ [50]
-----------------------------------------------
                                                 <spontaneous>
[51]     0.0    0.08    0.00                 pgio_ecvt [51]
-----------------------------------------------
                0.02    0.00       1/3           main [1]
                0.04    0.00       2/3           MAIN_ [2]
[52]     0.0    0.06    0.00       3         iron_carbon_get_supported_potential_range_ [52]
-----------------------------------------------
                                                 <spontaneous>
[53]     0.0    0.05    0.00                 __lookup_m_get_value_from_lookup_emb_END [53]
-----------------------------------------------
                                                 <spontaneous>
[54]     0.0    0.04    0.00                 cvtp_cp [54]
-----------------------------------------------
                0.03    0.00       1/1           MAIN_ [2]
[55]     0.0    0.03    0.00       1         potential_m_potin_ [55]
                0.00    0.00       1/6           utilityfns_m_newunit_ [110]
-----------------------------------------------
                                                 <spontaneous>
[56]     0.0    0.02    0.00                 __dynamics_m_rhoset_END [56]
-----------------------------------------------
                                                 <spontaneous>
[57]     0.0    0.02    0.00                 cvtp_round [57]
-----------------------------------------------
                                                 <spontaneous>
[58]     0.0    0.01    0.00                 __c_mzero8 [58]
-----------------------------------------------
                                                 <spontaneous>
[59]     0.0    0.01    0.00                 fw_writenum [59]
-----------------------------------------------
                                                 <spontaneous>
[60]     0.0    0.01    0.00                 io_m_ [60]
-----------------------------------------------
                                                 <spontaneous>
[61]     0.0    0.01    0.00                 __iron_carbon_demb_src_END [61]
-----------------------------------------------
                                                 <spontaneous>
[62]     0.0    0.01    0.00                 __iron_carbon_xh0_END [62]
-----------------------------------------------
                                                 <spontaneous>
[63]     0.0    0.01    0.00                 __potential_m_demb_END [63]
-----------------------------------------------
                                                 <spontaneous>
[64]     0.0    0.01    0.00                 __potential_m_emb_END [64]
-----------------------------------------------
                0.00    0.00       1/238         MAIN_ [2]
                0.01    0.00     237/238         parinellorahman_m_pr_get_tgid_ [74]
[65]     0.0    0.01    0.00     238         matrix_m_matrix_invert_ [65]
-----------------------------------------------
                0.01    0.00       2/2           MAIN_ [2]
[66]     0.0    0.01    0.00       2         linkcell_m_linkup_ [66]
-----------------------------------------------
                0.01    0.00       1/1           MAIN_ [2]
[67]     0.0    0.01    0.00       1         thermostat_m_setvel_ [67]
-----------------------------------------------
                                                 <spontaneous>
[68]     0.0    0.01    0.00                 fw_write_record [68]
-----------------------------------------------
                                                 <spontaneous>
[69]     0.0    0.01    0.00                 __hpfio_ecvt [69]
-----------------------------------------------
                                                 <spontaneous>
[70]     0.0    0.01    0.00                 __hpfio_fcvt [70]
-----------------------------------------------
                                                 <spontaneous>
[71]     0.0    0.01    0.00                 __hpfio_fmt_f [71]
-----------------------------------------------
                                                 <spontaneous>
[72]     0.0    0.01    0.00                 __hpfio_strtod [72]
-----------------------------------------------
                                                 <spontaneous>
[73]     0.0    0.01    0.00                 _init [73]
-----------------------------------------------
                0.00    0.01     237/237         MAIN_ [2]
[74]     0.0    0.00    0.01     237         parinellorahman_m_pr_get_tgid_ [74]
                0.01    0.00     237/238         matrix_m_matrix_invert_ [65]
                0.00    0.00     237/238         matrix_m_matrix_multiply_ [101]
-----------------------------------------------
                                                 <spontaneous>
[75]     0.0    0.01    0.00                 __dynamics_m_update_therm_avs_END [75]
-----------------------------------------------
                                                 <spontaneous>
[76]     0.0    0.01    0.00                 fw_OZwritenum [76]
-----------------------------------------------
                                                 <spontaneous>
[77]     0.0    0.01    0.00                 fw_write_item [77]
-----------------------------------------------
                                                 <spontaneous>
[78]     0.0    0.01    0.00                 __hpfio_chk_f [78]
-----------------------------------------------
                                                 <spontaneous>
[79]     0.0    0.01    0.00                 utilityfns_m_shellsort_ [79]
-----------------------------------------------
                                                 <spontaneous>
[80]     0.0    0.01    0.00                 dynamics_m_predic_ [80]
-----------------------------------------------
                                                 <spontaneous>
[81]     0.0    0.01    0.00                 iron_carbon_ [81]
-----------------------------------------------
                0.00    0.00     237/1704        dynamics_m_velocityverlet_ [4]
                0.00    0.00     238/1704        main [1]
                0.00    0.00     513/1704        MAIN_ [2]
                0.00    0.00     716/1704        dynamics_m_force_ [7]
[82]     0.0    0.00    0.00    1704         params_m_get_params_ [82]
-----------------------------------------------
                                                 <spontaneous>
[83]     0.0    0.00    0.00                 __utilityfns_m_shellsort_END [83]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[84]     0.0    0.00    0.00       1         params_m_read_params_ [84]
                0.00    0.00      41/41          params_m_readparam_keyvaluepair_ [106]
                0.00    0.00       1/6           utilityfns_m_newunit_ [110]
-----------------------------------------------
                                                 <spontaneous>
[85]     0.0    0.00    0.00                 alloc_fpbuf [85]
-----------------------------------------------
                                                 <spontaneous>
[86]     0.0    0.00    0.00                 fw_OZbyte [86]
-----------------------------------------------
                0.00    0.00       2/715         MAIN_ [2]
                0.00    0.00     237/715         dynamics_m_velocityverlet_ [4]
                0.00    0.00     476/715         main [1]
[87]     0.0    0.00    0.00     715         params_m_set_params_ [87]
-----------------------------------------------
                                                 <spontaneous>
[88]     0.0    0.00    0.00                 params_m_ [88]
-----------------------------------------------
                0.00    0.00       4/4           potential_m_potential_set_lookup_ [14]
[89]     0.0    0.00    0.00       4         lookup_m_calculate_lookup_table_veephi_ [89]
                0.00    0.00    5001/3778001     iron_carbon_vee_src_ [42]
                0.00    0.00  110658/49159658     iron_carbon_xh0_ [49]
                0.00    0.00    5001/5001        iron_carbon_dvee_src_ [96]
                0.00    0.00    5001/5001        iron_carbon_dphi_src_ [95]
                0.00    0.00    5001/5001        iron_carbon_phi_src_ [98]
-----------------------------------------------
                                                 <spontaneous>
[90]     0.0    0.00    0.00                 __params_m_get_params_END [90]
-----------------------------------------------
                                                 <spontaneous>
[91]     0.0    0.00    0.00                 __params_m_set_params_END [91]
-----------------------------------------------
                                                 <spontaneous>
[92]     0.0    0.00    0.00                 __dynamics_m_velocityverlet_END [92]
-----------------------------------------------
                                                 <spontaneous>
[93]     0.0    0.00    0.00                 __dynamics_m_energy_calc_END [93]
-----------------------------------------------
                0.00    0.00  514500/514500      MAIN_ [2]
[94]     0.0    0.00    0.00  514500         random_m_rand1_ [94]
-----------------------------------------------
                0.00    0.00    5001/5001        lookup_m_calculate_lookup_table_veephi_ [89]
[95]     0.0    0.00    0.00    5001         iron_carbon_dphi_src_ [95]
-----------------------------------------------
                0.00    0.00    5001/5001        lookup_m_calculate_lookup_table_veephi_ [89]
[96]     0.0    0.00    0.00    5001         iron_carbon_dvee_src_ [96]
-----------------------------------------------
                0.00    0.00    5001/5001        potential_m_potential_set_lookup_ [14]
[97]     0.0    0.00    0.00    5001         iron_carbon_emb_src_ [97]
-----------------------------------------------
                0.00    0.00    5001/5001        lookup_m_calculate_lookup_table_veephi_ [89]
[98]     0.0    0.00    0.00    5001         iron_carbon_phi_src_ [98]
-----------------------------------------------
                0.00    0.00     239/239         MAIN_ [2]
[99]     0.0    0.00    0.00     239         timers_m_clock_ [99]
-----------------------------------------------
                0.00    0.00       1/238         MAIN_ [2]
                0.00    0.00     237/238         main [1]
[100]    0.0    0.00    0.00     238         analysis_m_get_thermodynamic_sums_ [100]
-----------------------------------------------
                0.00    0.00       1/238         MAIN_ [2]
                0.00    0.00     237/238         parinellorahman_m_pr_get_tgid_ [74]
[101]    0.0    0.00    0.00     238         matrix_m_matrix_multiply_ [101]
-----------------------------------------------
                0.00    0.00       1/238         MAIN_ [2]
                0.00    0.00     237/238         main [1]
[102]    0.0    0.00    0.00     238         thermostat_m_set_temp_ [102]
-----------------------------------------------
                0.00    0.00     237/237         main [1]
[103]    0.0    0.00    0.00     237         analysis_m_set_thermodynamic_sums_ [103]
-----------------------------------------------
                0.00    0.00     237/237         MAIN_ [2]
[104]    0.0    0.00    0.00     237         parinellorahman_m_get_tgid_ [104]
-----------------------------------------------
                0.00    0.00      85/85          params_m_readparam_keyvaluepair_ [106]
[105]    0.0    0.00    0.00      85         utilityfns_m_lcase_ [105]
-----------------------------------------------
                0.00    0.00      41/41          params_m_read_params_ [84]
[106]    0.0    0.00    0.00      41         params_m_readparam_keyvaluepair_ [106]
                0.00    0.00      85/85          utilityfns_m_lcase_ [105]
-----------------------------------------------
                0.00    0.00      23/23          MAIN_ [2]
[107]    0.0    0.00    0.00      23         analysis_m_runavs_ [107]
-----------------------------------------------
                0.00    0.00      23/23          main [1]
[108]    0.0    0.00    0.00      23         analysis_m_update_thermodynamic_sums_ [108]
-----------------------------------------------
                0.00    0.00      23/23          MAIN_ [2]
[109]    0.0    0.00    0.00      23         thermostat_m_get_temp_ [109]
-----------------------------------------------
                0.00    0.00       1/6           potential_m_potin_ [55]
                0.00    0.00       1/6           analysis_m_rdf_ [6]
                0.00    0.00       1/6           MAIN_ [2]
                0.00    0.00       1/6           io_m_read_system_ [116]
                0.00    0.00       1/6           params_m_read_params_ [84]
                0.00    0.00       1/6           moldyv2_write_checkpoint_file [121]
[110]    0.0    0.00    0.00       6         utilityfns_m_newunit_ [110]
-----------------------------------------------
                0.00    0.00       4/4           potential_m_cleanup_potential_lookups_ [36]
[111]    0.0    0.00    0.00       4         lookup_m_free_lookup_table3_ [111]
-----------------------------------------------
                0.00    0.00       2/2           dynamics_m_force_ [7]
[112]    0.0    0.00    0.00       2         linkcell_m_get_l0_ [112]
-----------------------------------------------
                0.00    0.00       2/2           dynamics_m_force_ [7]
[113]    0.0    0.00    0.00       2         linkcell_m_get_link_ [113]
-----------------------------------------------
                0.00    0.00       1/1           main [1]
[114]    0.0    0.00    0.00       1         dynamics_m_cleanup_dynamics_m_ [114]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[115]    0.0    0.00    0.00       1         dynamics_m_init_dynamics_m_ [115]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[116]    0.0    0.00    0.00       1         io_m_read_system_ [116]
                0.00    0.00       1/6           utilityfns_m_newunit_ [110]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[117]    0.0    0.00    0.00       1         io_m_write_textout_header_ [117]
-----------------------------------------------
                0.00    0.00       1/1           potential_m_check_available_atomic_numbers_ [128]
[118]    0.0    0.00    0.00       1         iron_carbon_check_supported_atomic_numbers_ [118]
-----------------------------------------------
                0.00    0.00       1/1           main [1]
[119]    0.0    0.00    0.00       1         linkcell_m_cleanup_linkcell_m_ [119]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[120]    0.0    0.00    0.00       1         linkcell_m_init_linkcell_m_ [120]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[121]    0.0    0.00    0.00       1         moldyv2_write_checkpoint_file [121]
                0.00    0.00       1/6           utilityfns_m_newunit_ [110]
-----------------------------------------------
                0.00    0.00       1/1           main [1]
[122]    0.0    0.00    0.00       1         neighbourlist_m_cleanup_neighbourlist_m_ [122]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[123]    0.0    0.00    0.00       1         neighbourlist_m_init_neighbourlist_m_ [123]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[124]    0.0    0.00    0.00       1         parinellorahman_m_init_parinellorahman_m_ [124]
-----------------------------------------------
                0.00    0.00       1/1           main [1]
[125]    0.0    0.00    0.00       1         particles_m_cleanup_particles_m_ [125]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[126]    0.0    0.00    0.00       1         particles_m_init_particles_m_ [126]
                0.00    0.00       1/1           particles_m_init_species_properties_ [127]
-----------------------------------------------
                0.00    0.00       1/1           particles_m_init_particles_m_ [126]
[127]    0.0    0.00    0.00       1         particles_m_init_species_properties_ [127]
-----------------------------------------------
                0.00    0.00       1/1           main [1]
[128]    0.0    0.00    0.00       1         potential_m_check_available_atomic_numbers_ [128]
                0.00    0.00       1/1           iron_carbon_check_supported_atomic_numbers_ [118]
-----------------------------------------------
                0.00    0.00       1/1           main [1]
[129]    0.0    0.00    0.00       1         potential_m_get_available_potential_range_ [129]
-----------------------------------------------
                0.00    0.00       1/1           main [1]
[130]    0.0    0.00    0.00       1         quench_m_cleanup_quench_m_ [130]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[131]    0.0    0.00    0.00       1         quench_m_init_quench_m_ [131]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[132]    0.0    0.00    0.00       1         random_m_rstart_ [132]
-----------------------------------------------
                0.00    0.00       1/1           main [1]
[133]    0.0    0.00    0.00       1         thermostat_m_cleanup_thermostat_m_ [133]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[134]    0.0    0.00    0.00       1         thermostat_m_init_thermostat_m_ [134]
-----------------------------------------------
                0.00    0.00       1/1           MAIN_ [2]
[135]    0.0    0.00    0.00       1         thermostat_m_scalev_ [135]
-----------------------------------------------

 This table describes the call tree of the program, and was sorted by
 the total amount of time spent in each function and its children.

 Each entry in this table consists of several lines.  The line with the
 index number at the left hand margin lists the current function.
 The lines above it list the functions that called this function,
 and the lines below it list the functions this one called.
 This line lists:
     index	A unique number given to each element of the table.
		Index numbers are sorted numerically.
		The index number is printed next to every function name so
		it is easier to look up where the function in the table.

     % time	This is the percentage of the `total' time that was spent
		in this function and its children.  Note that due to
		different viewpoints, functions excluded by options, etc,
		these numbers will NOT add up to 100%.

     self	This is the total amount of time spent in this function.

     children	This is the total amount of time propagated into this
		function by its children.

     called	This is the number of times the function was called.
		If the function called itself recursively, the number
		only includes non-recursive calls, and is followed by
		a `+' and the number of recursive calls.

     name	The name of the current function.  The index number is
		printed after it.  If the function is a member of a
		cycle, the cycle number is printed between the
		function's name and the index number.


 For the function's parents, the fields have the following meanings:

     self	This is the amount of time that was propagated directly
		from the function into this parent.

     children	This is the amount of time that was propagated from
		the function's children into this parent.

     called	This is the number of times this parent called the
		function `/' the total number of times the function
		was called.  Recursive calls to the function are not
		included in the number after the `/'.

     name	This is the name of the parent.  The parent's index
		number is printed after it.  If the parent is a
		member of a cycle, the cycle number is printed between
		the name and the index number.

 If the parents of the function cannot be determined, the word
 `<spontaneous>' is printed in the `name' field, and all the other
 fields are blank.

 For the function's children, the fields have the following meanings:

     self	This is the amount of time that was propagated directly
		from the child into the function.

     children	This is the amount of time that was propagated from the
		child's children to the function.

     called	This is the number of times the function called
		this child `/' the total number of times the child
		was called.  Recursive calls by the child are not
		listed in the number after the `/'.

     name	This is the name of the child.  The child's index
		number is printed after it.  If the child is a
		member of a cycle, the cycle number is printed
		between the name and the index number.

 If there are any cycles (circles) in the call graph, there is an
 entry for the cycle-as-a-whole.  This entry shows who called the
 cycle (as parents) and the members of the cycle (as children.)
 The `+' recursive calls entry shows the number of function calls that
 were internal to the cycle, and the calls entry for each member shows,
 for that member, how many times it was called from other members of
 the cycle.


Index by function name

   [2] MAIN_                  [57] cvtp_round             [26] neighbourlist_m_update_neighbourlist_
  [58] __c_mzero8            [114] dynamics_m_cleanup_dynamics_m_ [88] params_m_
  [93] __dynamics_m_energy_calc_END (dynamics_m.F90) [33] dynamics_m_energy_calc_ [82] params_m_get_params_
  [56] __dynamics_m_rhoset_END (dynamics_m.F90) [7] dynamics_m_force_ [84] params_m_read_params_
  [75] __dynamics_m_update_therm_avs_END [115] dynamics_m_init_dynamics_m_ [106] params_m_readparam_keyvaluepair_
  [92] __dynamics_m_velocityverlet_END (dynamics_m.F90) [80] dynamics_m_predic_ [87] params_m_set_params_
  [78] __hpfio_chk_f          [10] dynamics_m_rhoset_     [28] parinellorahman_m_cleanup_parinellorahman_m_
  [69] __hpfio_ecvt           [37] dynamics_m_update_therm_avs_ [104] parinellorahman_m_get_tgid_
  [70] __hpfio_fcvt            [4] dynamics_m_velocityverlet_ [124] parinellorahman_m_init_parinellorahman_m_
  [71] __hpfio_fmt_f          [46] dynamics_m_write_energy_forces_stress_ [30] parinellorahman_m_pr_get_metric_tensor_
  [72] __hpfio_strtod         [11] f90io_close             [5] parinellorahman_m_pr_get_realsep_from_dx_
  [61] __iron_carbon_demb_src_END (iron_carbon.F90) [86] fw_OZbyte [74] parinellorahman_m_pr_get_tgid_
  [62] __iron_carbon_xh0_END (iron_carbon.F90) [76] fw_OZwritenum [125] particles_m_cleanup_particles_m_
  [31] __lookup_m_calculate_lookup_table_emb_END (lookup_m.F90) [77] fw_write_item [126] particles_m_init_particles_m_
  [53] __lookup_m_get_value_from_lookup_emb_END (lookup_m.F90) [68] fw_write_record [127] particles_m_init_species_properties_
  [25] __lookup_m_get_value_from_lookup_veephi_END (lookup_m.F90) [59] fw_writenum [51] pgio_ecvt
  [21] __mth_i_dint           [60] io_m_                 [128] potential_m_check_available_atomic_numbers_
  [12] __mth_i_idnint        [116] io_m_read_system_      [36] potential_m_cleanup_potential_lookups_
  [90] __params_m_get_params_END (params_m.F90) [117] io_m_write_textout_header_ [47] potential_m_demb_
  [91] __params_m_set_params_END (params_m.F90) [81] iron_carbon_ [20] potential_m_dphi_
  [29] __parinellorahman_m_cleanup_parinellorahman_m_END (parinellorahman_m.F90) [118] iron_carbon_check_supported_atomic_numbers_ [19] potential_m_dvee_
  [38] __parinellorahman_m_pr_get_realsep_from_dx_END (parinellorahman_m.F90) [50] iron_carbon_demb_src_ [27] potential_m_emb_
  [23] __pgio_environ         [95] iron_carbon_dphi_src_  [48] potential_m_embed_
  [22] __pgio_errno           [96] iron_carbon_dvee_src_ [129] potential_m_get_available_potential_range_
  [18] __pgio_set_errno       [97] iron_carbon_emb_src_   [16] potential_m_phi_
  [43] __potential_m_cleanup_potential_lookups_END (potential_m.F90) [52] iron_carbon_get_supported_potential_range_ [32] potential_m_potential_set_exact_
  [63] __potential_m_demb_END (potential_m.F90) [98] iron_carbon_phi_src_ [14] potential_m_potential_set_lookup_
  [41] __potential_m_dphi_END (potential_m.F90) [42] iron_carbon_vee_src_ [55] potential_m_potin_
  [34] __potential_m_dvee_END (potential_m.F90) [49] iron_carbon_xh0_ [24] potential_m_vee_
  [64] __potential_m_emb_END (potential_m.F90) [119] linkcell_m_cleanup_linkcell_m_ [130] quench_m_cleanup_quench_m_
  [35] __potential_m_phi_END (potential_m.F90) [112] linkcell_m_get_l0_ [131] quench_m_init_quench_m_
  [44] __potential_m_potential_set_exact_END (potential_m.F90) [113] linkcell_m_get_link_ [94] random_m_rand1_
  [40] __potential_m_vee_END (potential_m.F90) [120] linkcell_m_init_linkcell_m_ [132] random_m_rstart_
   [8] __rouexit              [66] linkcell_m_linkup_    [133] thermostat_m_cleanup_thermostat_m_
  [13] __rouinit              [15] lookup_m_calculate_lookup_table_emb_ [109] thermostat_m_get_temp_
  [83] __utilityfns_m_shellsort_END [89] lookup_m_calculate_lookup_table_veephi_ [134] thermostat_m_init_thermostat_m_
  [73] _init                  [45] lookup_m_free_lookup_table2_ [39] thermostat_m_kinten_
   [3] _mcount2              [111] lookup_m_free_lookup_table3_ [135] thermostat_m_scalev_
  [85] alloc_fpbuf            [17] lookup_m_get_value_from_lookup_emb_ [102] thermostat_m_set_temp_
 [100] analysis_m_get_thermodynamic_sums_ [9] lookup_m_get_value_from_lookup_veephi_ [67] thermostat_m_setvel_
   [6] analysis_m_rdf_        [65] matrix_m_matrix_invert_ [99] timers_m_clock_
 [107] analysis_m_runavs_    [101] matrix_m_matrix_multiply_ [105] utilityfns_m_lcase_
 [103] analysis_m_set_thermodynamic_sums_ [121] moldyv2_write_checkpoint_file (moldin.F90) [110] utilityfns_m_newunit_
 [108] analysis_m_update_thermodynamic_sums_ [122] neighbourlist_m_cleanup_neighbourlist_m_ [79] utilityfns_m_shellsort_
  [54] cvtp_cp               [123] neighbourlist_m_init_neighbourlist_m_
